SCHEMBL4428902

SCHEMBL4428902

COc1ccc(-c2cccc(S(=O)(=O)c3cc(CC(=O)O)cc(OC)c3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.50
MMP12 P39900 3/20 0.50
MMP8 P22894 2/20 0.50
MMP13 P45452 2/20 0.50
MMP14 P50281 2/20 0.50
MMP16 P51512 2/20 0.50
MMP9 P14780 2/20 0.50
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
KAT6A Q92794 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS1 P23219 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4430740 0.95 LOXL2 (0.48) MMP2MMP12MMP8MMP13MMP14
SCHEMBL4439777 0.92 FFAR1 (0.44) MMP2MMP12MMP8MMP13MMP14
SCHEMBL5132323 0.92 MMP2 (0.46) MMP2MMP12MMP8MMP13MMP14
SCHEMBL4430445 0.92 ACLY (0.43) MMP2MMP12MMP8MMP13MMP14
SCHEMBL4433212 0.92 RXRA (0.43) MMP2MMP12MMP8MMP13MMP14
SCHEMBL4440857 0.92 MMP2 (0.53) MMP2MMP12MMP8MMP13MMP14
SCHEMBL4430009 0.91 RXRA (0.45) MMP2MMP12MMP8MMP13MMP14
SCHEMBL5122402 0.91 MMP2 (0.44) MMP2MMP12MMP8MMP13MMP14
SCHEMBL5122594 0.91 MMP2 (0.44) MMP2MMP12MMP8MMP13MMP14
SCHEMBL5132191 0.89 RXRA (0.54) MMP2MMP12MMP8MMP13MMP14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121591-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-25 EP disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD MMP2 2866/4885MMP12 1194/4885MMP8 2304/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.